| MolPort-046-153-844 |
0.76 |
C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12
|
|
| MCULE-8509255158 |
0.76 |
[C@@]12([H])[C@H](OC(=O)/C(=C\C)/C)CCN1CC=C2CO
|
|
| MolPort-009-757-738 |
0.74 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1/C[C@H](C)[C@H](C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MCULE-4354077810 |
0.73 |
[C@H]1(O)[C@H]2N(C)[C@H](C[C@@H](OC(=O)/C(=C/C)/C)C2)[C@H]1OC(/C(/C)=C/C)=O
|
|
| MolPort-039-338-396 |
0.73 |
C\C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H]2C[C@@H](C[C@H]1N2C)OC(=O)C(\C)=C\C
|
|
| MolPort-007-549-187 |
0.71 |
C\C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-006-111-401 |
0.71 |
C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-527-317 |
0.71 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
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|
| MolPort-039-338-352 |
0.71 |
C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
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|
| MolPort-039-339-124 |
0.71 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@H]23
|
|
| MolPort-001-970-710 |
0.71 |
C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MCULE-1098347199 |
0.71 |
C1(=C/C)/C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC/1=O)[C@@]23[H])C
|
|
| MCULE-2453824717 |
0.71 |
C1(=O)C(=CC)C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H]([C@]32[H])O1
|
|
| MCULE-8392481784 |
0.71 |
C12(C3([H])COC(=O)C(C)(O)C([H])(C)CC(=CC)C(=O)OC1([H])CCN2CC3)[H]
|
|
| MCULE-3408134534 |
0.71 |
[C@]12([C@@]3([H])COC(=O)[C@](C)(O)[C@@]([H])(C)CC(=CC)C(=O)O[C@]1([H])CCN2CC3)[H]
|
|
| MCULE-7322741531 |
0.71 |
C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-9542568510 |
0.71 |
C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@]23[H])C
|
|
| MCULE-1506963069 |
0.70 |
C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32)O1
|
|
| MCULE-7838408162 |
0.70 |
C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32[H])O1
|
|
| MolPort-009-653-454 |
0.70 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)C(C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
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|
| MolPort-009-758-408 |
0.70 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-035-813-702 |
0.70 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-044-754-045 |
0.69 |
C[C@@H]1C\C(C)=C/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@]1(C)O)[C@H]23
|
|
| MolPort-039-338-347 |
0.68 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-857 |
0.68 |
C\C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)[C@H](C)O)[C@H]12
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|
| MolPort-046-153-856 |
0.68 |
C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)[C@H](C)O)[C@H]12
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|
| MolPort-046-153-854 |
0.68 |
C\C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)([C@H](C)O)C(C)(C)O)[C@H]12
|
|
| MolPort-046-153-860 |
0.68 |
C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)([C@H](C)O)C(C)(C)O)[C@H]12
|
|
| MolPort-046-153-830 |
0.68 |
C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1=C)[C@@H]23
|
|
| MCULE-4663213110 |
0.68 |
C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-8649403820 |
0.68 |
[C@@]12([H])[C@H](OC(=O)/C(=C/C)/C)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-9812195195 |
0.68 |
[C@@]12([H])[C@H](OC(=O)/C(=C\C)/C)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@@H](O)C)=O
|
|
| MCULE-6419923595 |
0.68 |
[C@@]12([H])[C@@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@](O)(C(O)(C)C)[C@@H](O)C)=O
|
|
| MCULE-3606301433 |
0.68 |
[C@@]12([H])[C@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-4619423063 |
0.68 |
C/C=C(\C)/C(=O)O[C@@H]1[C@H]2N(CC=C2COC(=O)[C@@]([C@H](C)O)(O)C(C)(O)C)CC1
|
|
| MCULE-7853598453 |
0.68 |
C1(=C)[C@H](C)[C@@H]([C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-1427730692 |
0.68 |
[C@@H]1(C)[C@@](C)(O)[C@H](C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-2185301863 |
0.68 |
[C@@]12([H])[C@@H](OC(=O)/C(=C\C)/C)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@@H](OC)C)=O
|
|
| MolPort-046-153-837 |
0.68 |
C[C@@H]1C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@H](C)[C@@]1(C)O)[C@@H]23
|
|
| MolPort-046-153-846 |
0.68 |
CO[C@@H](C)C(O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(C)(C)O
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|
| MolPort-002-524-376 |
0.68 |
CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(C)(C)O
|
|
| MolPort-039-338-345 |
0.67 |
C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-003-927-243 |
0.67 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-692-000 |
0.67 |
C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-764-808 |
0.67 |
[2H]C([2H])([2H])[C@@]1(O)[C@H](C)C\C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC1=O)[C@H]23
|
|
| MolPort-046-153-852 |
0.67 |
C\C=C(\C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12
|
|
| MolPort-039-339-127 |
0.67 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23
|
|
| MCULE-4300429692 |
0.67 |
C1(=C/C)\C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-1599397850 |
0.67 |
C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-3001536995 |
0.67 |
[C@]12([H])CCCN1C[C@H](O)[C@@H]2COC(/C(=C\C)/C)=O
|
|
| MCULE-1907822903 |
0.67 |
C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-1328502038 |
0.67 |
C(O[C@@H]1C[C@@H]2N(C)[C@@H](CC2)C1)(=O)/C(/C)=C/C
|
|
| MCULE-4226767409 |
0.67 |
N1(C)C2CCC1CC(OC(/C(/C)=C/C)=O)C2
|
|
| MCULE-3857064447 |
0.67 |
[C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-8339457270 |
0.67 |
C1(C)C(C)C(C(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-5741931390 |
0.67 |
N1(C)C2CCC1CC(OC(/C(/C)=C\C)=O)C2
|
|
| MolPort-046-153-866 |
0.67 |
C\C=C(\C)C(=O)OC1CC2CCC(C1)N2C
|
|
| MolPort-046-153-839 |
0.67 |
C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-838 |
0.67 |
CC1C(C)C(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1C)[C@@H]23
|
|
| MolPort-044-754-029 |
0.67 |
C\C=C(/C)C(=O)OC1CC2CCC(C1)N2C
|
|
| MolPort-006-111-467 |
0.67 |
C\C=C(/C)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C
|
|
| MolPort-002-532-611 |
0.66 |
COCC1CCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MCULE-8673137679 |
0.66 |
OC(C(CN1C2C(COC2)CCC1)=C)=O
|
|
| MCULE-9645745208 |
0.66 |
[C@@]12([H])[C@H](OC(=O)C)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-7629911471 |
0.66 |
[C@@]12([H])[C@H](OC(C)=O)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@H](O)C)=O
|
|
| MCULE-8051804437 |
0.66 |
[C@@]12([H])[C@H](OC(=O)C)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MolPort-046-153-841 |
0.66 |
C[C@@H](O)C(O)(C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12)C(C)(C)O
|
|
| MolPort-046-153-847 |
0.66 |
CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12
|
|
| MolPort-046-153-849 |
0.66 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12
|
|
| MolPort-002-526-408 |
0.65 |
C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-338-349 |
0.65 |
C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-004-955-368 |
0.65 |
C\C=C1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-167-821 |
0.65 |
C\C=C1/CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23
|
|
| MolPort-046-692-258 |
0.65 |
C\C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-000-716-048 |
0.65 |
O.C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-009-758-385 |
0.65 |
O.C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-855 |
0.65 |
C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@]3(O)[C@@H](C)OC(=O)[C@H]3C)[C@H]12
|
|
| MolPort-002-516-490 |
0.65 |
C\C=C1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-509-999 |
0.65 |
CC1CN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
|
|
| MolPort-035-681-744 |
0.65 |
CN1C2CC(OC(C)=O)C1CC(=O)C2
|
|
| MCULE-5132490180 |
0.65 |
[C@@]12([H])[C@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@]1(O)[C@H](C)C(=O)O[C@@H]1C)=O
|
|
| MCULE-5897801481 |
0.65 |
CC=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(O)(CO)C(C)C1
|
|
| MCULE-9753454229 |
0.65 |
C1(=C/C)\C[C@@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-4830898327 |
0.65 |
C1(=O)C(=CC)CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(C23)O1
|
|
| MCULE-3414587626 |
0.65 |
C1(=C/C)\C[C@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-9982898170 |
0.65 |
C1(=C/C)\CC([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])=C
|
|
| MCULE-8978021306 |
0.65 |
C=CC[N+]1(CCCCC1)[C@@H]1[C@H](OC(=O)CC)[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@@](C[C@@H]([C@H](C2)N2CCCCC2)OC(=O)C)([H])CC3)[H])([H])C1
|
|
| MCULE-9322352863 |
0.65 |
[C@@]1(O)([C@H](O)C)C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3[C@@]2([H])[C@H](OC1=O)CC3)C
|
|
| MCULE-3547461120 |
0.65 |
C=CC[N+]1(CCCCC1)[C@@H]1[C@H](OC(=O)CC)[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@@](C[C@@H]([C@H](C2)N2CCCCC2)OC(=O)C)([H])CC3)[H])([H])C1.[Br-]
|
|
| MCULE-1675826727 |
0.65 |
C1(C)(O)C(=O)OCC2=CCN3CCC(C32)OC(=O)C(C)C1(C)O
|
|
| MCULE-9022540105 |
0.65 |
[C@@]1(C)(O)C(=O)OCC2=CCN3CC[C@H]([C@]32[H])OC(=O)[C@H](C)[C@@]1(C)O
|
|
| MCULE-8867616609 |
0.65 |
N12CC=C3COC(=O)[C@@](O)(C)[C@@](O)(C)[C@@H](C)C(=O)O[C@@]([H])([C@]13[H])CC2
|
|
| MolPort-044-754-047 |
0.65 |
C[C@@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-006-169-994 |
0.65 |
[Br-].CCC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(CC=C)CCCCC1
|
|
| MolPort-019-937-253 |
0.65 |
CC1C(=O)OCC2=CCN3CCC(OC(=O)C(C)(O)C1(C)O)C23
|
|
| MolPort-046-765-266 |
0.65 |
C[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)[C@@H]23
|
|
| MolPort-000-157-648 |
0.65 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)C23
|
|
| MolPort-001-742-605 |
0.65 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
|
|
| MolPort-000-748-737 |
0.65 |
[Cl-].C\C=C\C(=O)OC[C@@H]1CCC[NH+]2CCCC[C@H]12
|
|
| MolPort-027-717-778 |
0.65 |
Cl.CC=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
|
|
| MolPort-002-514-906 |
0.64 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCOCC1
|
|
| MolPort-000-917-836 |
0.64 |
CN1C2CCC1CC(C2)OC(=O)CCN1CCOCC1
|
|
| MolPort-000-719-723 |
0.64 |
CC(C)[C@H]1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)[C@H]23
|
|
| MolPort-046-153-833 |
0.64 |
C[C@H]1C(C)C(O)(CO)C(=O)O[C@@H]2CCN3CC=C(COC(=O)C1(C)O)[C@H]23
|
|
| MolPort-002-507-203 |
0.64 |
CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
|
|
| MCULE-4712401568 |
0.64 |
Cl.Cl.N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2
|
|
| MCULE-5745558790 |
0.64 |
C1(=O)OCC2NCCCC12
|
|
| MCULE-5260058242 |
0.64 |
OC(C(CN1C2COCC1CC2)=C)=O
|
|
| MCULE-3592998988 |
0.64 |
CN1C(C)(C)CC2(OC(=O)CC2)C1
|
|
| MCULE-8007991830 |
0.64 |
N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2
|
|
| MCULE-5725050795 |
0.64 |
C1(C)(O)C(C(C)C)C(=O)OC2CCN3CC=C(C32[H])COC(=O)C1(C)O
|
|
| MCULE-7850891265 |
0.64 |
C1(O)(CO)C(C)[C@@H](C(O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-8617603456 |
0.64 |
[C@@H]1(C(C)C)[C@@](C)(O)[C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-6390090045 |
0.64 |
[C@]1(C)(O)[C@@H](C(C)C)C(=O)O[C@@H]2CCN3CC=C([C@@]32[H])COC(=O)[C@]1(C)O
|
|
| MolPort-000-837-516 |
0.64 |
Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CCN1CCOCC1
|
|
| MolPort-044-754-048 |
0.63 |
C\C=C1\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-690-871 |
0.63 |
[Br-].CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@@H]3CC[C@]12C)N1CCCC1)[N+]1(CC=C)CCCC1
|
|
| MolPort-046-764-500 |
0.63 |
[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCC1)[N+]1(CC=C)CCCC1
|
|
| MCULE-7813149467 |
0.63 |
C1(=C/C)\CC([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])=C
|
|
| MCULE-2781218490 |
0.63 |
N12CCOC(CCC(=O)OC(CC1(C)C)CC2(C)C)=O
|
|
| MCULE-2268593071 |
0.63 |
OC(C=CCN1C2C(COC2)CCC1)=O
|
|
| MCULE-6434067942 |
0.63 |
C12(O[C@H]1C)C[C@H]([C@@](C)(O)C(=O)OCC1=CCN3[C@@]1([H])[C@H](OC2=O)CC3)C
|
|
| MolPort-044-754-046 |
0.63 |
C[C@@H]1OC11C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-006-167-617 |
0.63 |
CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1
|
|
| MolPort-046-153-832 |
0.62 |
C[C@@H]1O[C@@]11C[C@]2(CO2)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-044-722-541 |
0.62 |
CC(C)C(O)(C(C)O)C(=O)OC1CCN2CCCC12
|
|
| MolPort-044-459-851 |
0.62 |
O=C1OC(CN2CCOCC3(CCCC3)C2)CC11CCC1
|
|
| MolPort-046-153-836 |
0.62 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)OC(C)=O)[C@H]23
|
|
| MCULE-8339569500 |
0.62 |
CC(OC1C2(C)C(C3C(CC2)C2(C)C(CC(C(N4CCOCC4)C2)O)CC3)CC1[N+]1(CCCC1)CC=C)=O
|
|
| MCULE-7182193529 |
0.62 |
O1CCN([C@H]2C[C@]3(C)[C@@]4([H])CC[C@]5(C)[C@@H](OC(C)=O)[C@@H]([N+]6(CC=C)CCCC6)C[C@@]5([H])[C@]4([H])CC[C@@]3([H])C[C@@H]2O)CC1
|
|
| MCULE-7228742209 |
0.62 |
C[C@@]12[C@@H](OC(=O)C)[C@@H]([N+]3(CCCC3)CC=C)C[C@@]1([H])[C@]1([H])CC[C@@]3([H])C[C@H](OC(=O)C)[C@@H](N4CCC5(OCCO5)CC4)C[C@]3(C)[C@@]1([H])CC2
|
|
| MCULE-5533307091 |
0.62 |
[N+]1(CC=C)([C@H]2C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@H]2OC(=O)C)CCCC1
|
|
| MCULE-1866986142 |
0.62 |
[C@@]12(O[C@H]1C)C[C@@]1(OC1)[C@](O)(C)C(=O)OCC1=CCN3CC[C@@H](OC2=O)[C@@]13[H]
|
|
| MCULE-9482753335 |
0.62 |
C(=O)(OC1CCN2CCCC21)C(O)(C(C)C)C(C)O
|
|
| MCULE-1784214054 |
0.62 |
O=C1C2(CCC2)CC(CN2CC3(CCCC3)COCC2)O1
|
|
| MCULE-8903181663 |
0.62 |
COC(CCN(CC(C)=C)CC1OCCC1)=O
|
|
| MCULE-2868704165 |
0.62 |
[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
|
|
| MCULE-8244262888 |
0.62 |
CCOC(C(C(NCC1OC(C)CC1)C)C)=O
|
|
| MCULE-4743290449 |
0.62 |
C[C@@]12[C@@H](OC(=O)C)[C@@H]([N+]3(CCCC3)CC=C)C[C@@]1([H])[C@]1([H])CC[C@@]3([H])C[C@H](OC(=O)C)[C@@H](N4CCC5(OCCO5)CC4)C[C@]3(C)[C@@]1([H])CC2.[Br-]
|
|
| MCULE-6922215073 |
0.62 |
CC(OC1C2(C)C(C3C(CC2)C2(C)C(CC(C(N4CCOCC4)C2)O)CC3)CC1[N+]1(CCCC1)CC=C)=O.[Br-]
|
|
| MCULE-5938248946 |
0.62 |
O1CCN([C@H]2C[C@]3(C)[C@@]4([H])CC[C@]5(C)[C@@H](OC(C)=O)[C@@H]([N+]6(CC=C)CCCC6)C[C@@]5([H])[C@]4([H])CC[C@@]3([H])C[C@@H]2O)CC1.[Br-]
|
|
| MCULE-4048536115 |
0.62 |
[N+]1(CC=C)([C@H]2C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@H]2OC(=O)C)CCCC1.[Br-]
|
|
| MCULE-1417245010 |
0.62 |
CC1(CC(OC)CC(C)(C)N1CCOC(=O)CCC(=O)C)C
|
|
| MolPort-039-287-843 |
0.62 |
CCOC(=O)C(C)C(C)NCC1CCC(C)O1
|
|
| MolPort-002-511-364 |
0.62 |
CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
|
|
| MolPort-020-054-041 |
0.62 |
COC(=O)CCN(CC1CCCO1)CC(C)=C
|
|
| MolPort-046-418-862 |
0.62 |
[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCC2(CC1)OCCO2)[N+]1(CC=C)CCCC1
|
|
| MolPort-003-850-201 |
0.62 |
[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1
|
|
| MolPort-046-793-020 |
0.62 |
[Br-].CC(=O)O[C@H]1C[C@H]2CC[C@H]3[C@H]4C[C@@H]([C@H](O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1N1CCOCC1)[N+]1(CC=C)CCCC1
|
|
| MolPort-046-688-761 |
0.62 |
[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]([C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1N1CCOCC1)[N+]1(CC=C)CCCC1
|
|
| MolPort-046-688-760 |
0.62 |
[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1
|
|
| MolPort-039-062-264 |
0.62 |
COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1
|
|
| MolPort-023-332-296 |
0.62 |
COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1
|
|
| MolPort-038-941-695 |
0.61 |
CN1C2CC(OC(C)=O)C1CC(O)C2
|
|
| MolPort-046-761-491 |
0.61 |
[2H]C([2H])([2H])[C@@]1(O)[C@H](C)C\C(=C\C)C(=O)O[C@@H]2CCN3(=O)CC=C(COC1=O)[C@H]23
|
|
| MolPort-000-738-299 |
0.61 |
[I-].CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
|
|
| MolPort-002-516-695 |
0.61 |
COC(CN(C)CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)OC
|
|
| MolPort-002-513-564 |
0.61 |
COC(CNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)OC
|
|
| MCULE-4826245259 |
0.61 |
OC1CC2N(C)C(CC2OC(=O)C)C1
|
|
| MCULE-7372965018 |
0.61 |
C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C
|
|
| MCULE-6360711273 |
0.61 |
C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C.C(O)(=O)C
|
|
| MCULE-3636847680 |
0.61 |
[I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
|
|
| MCULE-1731867756 |
0.61 |
C1C(C2OCC(NC3CC=CC3)C2)C1
|
|
| MCULE-8901209049 |
0.61 |
OC(C(N1C2C(COC2)CCC1)C=C)=O
|
|
| MCULE-8254174195 |
0.61 |
O=C1C=C2[C@@]3([C@@H]4N([C@@H](C=C2)C3)CCCC4)O1
|
|
| MCULE-4190866478 |
0.61 |
[C@]123OC(C=C1C=C[C@](N1CCCC[C@@]12[H])([H])C3)=O
|
|
| MCULE-8370171572 |
0.61 |
N12CCCC[C@]1([H])[C@@]13C[C@@H]2C=CC1=CC(=O)O3
|
|
| MCULE-9026177331 |
0.61 |
[C@]123OC(C=C1C=C[C@@H](N1CCCC[C@@]12[H])C3)=O
|
|
| MCULE-1313869504 |
0.61 |
C123OC(C=C1C=CC(N1CCCCC12)C3)=O
|
|
| MCULE-1169235094 |
0.61 |
[C@]123OC(C=C1C=C[C@](N1CCCC[C@]21C)([H])C3)=O
|
|
| MCULE-3871974740 |
0.61 |
CCCCOC(CCN1CC(C2CC2)OCC1)=O
|
|
| MCULE-3780127528 |
0.61 |
O=C1C2(CC2)CC(CN2C3(CCC3)CCC2)O1
|
|
| MCULE-5504260229 |
0.61 |
O=C1OC2C(NCCC2)C1
|
|
| MCULE-2986488119 |
0.61 |
C1CC(C(=O)OCC2CCC[N+]3(C)CCCCC32)NCC1
|
|
| MCULE-7547702582 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC4=C(C)[C@]5([C@H](C)[C@]6([H])NC[C@@H](C)C[C@@]6([H])O5)CC[C@@]4([H])[C@]3([H])CC(=O)[C@@]2([H])C[C@H]1O
|
|
| MCULE-5310775910 |
0.61 |
CC1CNC2C(C)C3(C(C)=C4C(C5C(C4)C4(C)C(CC(O)CC4)C(=O)C5)CC3)OC2C1
|
|
| MolPort-002-516-682 |
0.61 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCC=C
|
|
| MolPort-002-507-176 |
0.61 |
O=C1O[C@@]23C[C@@H](C=CC2=C1)N1CCCC[C@H]31
|
|
| MolPort-002-531-287 |
0.61 |
CCC(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-046-426-648 |
0.61 |
O=C1OC23C[C@@H](C=CC2=C1)N1CCCC[C@H]31
|
|
| MolPort-016-634-279 |
0.61 |
O=C1O[C@@]23C[C@H](C=CC2=C1)N1CCCC[C@H]31
|
|
| MolPort-008-434-555 |
0.61 |
C[C@]12CCCCN1[C@H]1C[C@@]22OC(=O)C=C2C=C1
|
|
| MolPort-007-563-123 |
0.61 |
O=C1O[C@]23C[C@H](C=CC2=C1)N1CCCC[C@H]31
|
|
| MolPort-044-461-881 |
0.61 |
CCCCOC(=O)CCN1CCOC(C1)C1CC1
|
|
| MolPort-002-520-601 |
0.61 |
CC1CN(CC2[C@@H]3[C@@H](CC4=CCCC(C)[C@@]4(C)C3O)OC2=O)CC(C)O1
|
|
| MolPort-042-693-459 |
0.61 |
O=C1OC(CN2CCCC22CCC2)CC11CC1
|
|
| MolPort-020-005-870 |
0.61 |
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C
|
|
| MolPort-006-668-159 |
0.60 |
CC(C)CC1NC(=O)C23OC(=O)\C=C\C(O)CCC\C(C)=C\C2C=C(C)C(C)C13
|
|
| MolPort-039-338-348 |
0.60 |
C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-231-580 |
0.60 |
CCOC(=O)C1CCC(CC1)N[C@@H]1C[C@H]2CC[C@@H]1O2
|
|
| MolPort-002-519-484 |
0.60 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1CO
|
|
| MolPort-002-516-445 |
0.60 |
CC1CN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC(C)O1
|
|
| MolPort-046-153-831 |
0.60 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-044-473-585 |
0.60 |
C(N1CCCC2(CCCCO2)C1)C1=CCCOC1
|
|
| MolPort-002-516-968 |
0.60 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCN1CCOCC1
|
|
| MolPort-020-054-078 |
0.60 |
COC(=O)CCN(CC1CCCO1)CC(Cl)=C
|
|
| MolPort-044-726-716 |
0.60 |
CO[C@H]1CCN2[C@H]3C[C@@]4(OC(=O)C=C4C=C3)[C@@H]2C1
|
|
| MolPort-046-153-840 |
0.60 |
CC1OCC23CC1(O)C(=O)O[C@@H]1CCN4CC=C(COC(=O)C2(C)O3)[C@H]14
|
|
| MolPort-044-754-091 |
0.60 |
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C
|
|
| MolPort-001-990-091 |
0.60 |
CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)C2=C1C
|
|
| MolPort-035-765-810 |
0.60 |
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C
|
|
| MolPort-046-596-566 |
0.60 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCN1CCOCC1
|
|
| MolPort-002-531-325 |
0.60 |
COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-003-873-278 |
0.60 |
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C
|
|
| MolPort-019-936-979 |
0.60 |
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3C(=O)C2=C1C
|
|
| MCULE-7287731652 |
0.60 |
C123OC(=O)C=CC(CCCC(C)=CC1C=C(C(C)C2C(NC3=O)CC(C)C)C)O
|
|
| MCULE-9285535526 |
0.60 |
CCOC(C1CCC(N[C@H]2[C@H]3O[C@H](CC3)C2)CC1)=O
|
|
| MCULE-8030008242 |
0.60 |
[C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-6328173316 |
0.60 |
OC(C1CN(C2CC(C3CC3)OC2)C1)=O
|
|
| MCULE-3513830937 |
0.60 |
COC(CCN(CC(Cl)=C)CC1OCCC1)=O
|
|
| MCULE-4254272963 |
0.60 |
C(C1COCCC=1)N1CC2(OCCCC2)CCC1
|
|
| MCULE-7094225424 |
0.60 |
C12(O)C(C)OCC3(OC3(C)C(=O)OCC3=CCN4CC[C@@H](OC1=O)[C@@]34[H])C2
|
|
| MCULE-5516089760 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(=O)CCN3CCOCC3)[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(C)C)[H]
|
|
| MCULE-7097217826 |
0.60 |
C1C[C@]2(C)[C@@]3([H])C(=O)C4=C(C)[C@]5([C@H](C)[C@]6([H])NC[C@@H](C)C[C@@]6([H])O5)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
|
|
| MCULE-8412061145 |
0.60 |
C12(CCC3C(C(=O)C4C3CC=C3CC(O)CCC43C)=C1C)C(C)C1C(CC(CN1)C)O2
|
|
| MCULE-4529653783 |
0.60 |
C1(=O)C2[C@@]([H])(CC[C@@]3([C@H](C)[C@]4([H])NC[C@@H](C)C[C@@]4([H])O3)C=2C)[C@@]2([H])[C@@]1([H])[C@@]1(C)CC[C@H](O)CC1=CC2
|
|
| MCULE-1078137914 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CC[NH+]3CCOCC3)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9432103602 |
0.60 |
[I-].C1CC(C(=O)OCC2CCC[N+]3(C)CCCCC32)NCC1
|
|
| MCULE-6048074824 |
0.60 |
O[C@H]1CC[C@@]2(C)C(=CC[C@]3([C@@]4([H])C(=C([C@@]5(CC4)[C@H](C)[C@@]4(NC[C@H](C[C@@]4([H])O5)C)[H])C)C[C@@]32[H])[H])C1
|
|
| MCULE-6412196554 |
0.60 |
C1C2[C@@]([H])(CC[C@@]3([C@H](C)[C@]4([H])NC[C@@H](C)C[C@@]4([H])O3)C=2C)[C@@]2([H])[C@@]1([H])[C@@]1(C)CC[C@H](O)CC1=CC2
|
|
| MCULE-7601880415 |
0.60 |
N1(C)C2CCC1CC(OC(=O)CN1CCCCC1)C2
|
|
| MCULE-5975824916 |
0.60 |
[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C)C
|
|
| MCULE-4094691449 |
0.60 |
N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C
|
|
| MCULE-3155800355 |
0.60 |
C123OC(C=C1C=CC([NH+]1CCCCC12)C3)=O.N(=O)(=O)[O-]
|
|
| MCULE-9470084264 |
0.60 |
[C@H]1(OC(C)=O)[C@@H]2CC[C@@H](O)[C@@H](N2)C1
|
|
| MCULE-8670586100 |
0.60 |
N1C(C)(C)CC(CC1(C)C)OC(=O)C=CC(=O)OC1CC(C)(C)NC(C)(C)C1
|
|
| MCULE-4486647355 |
0.60 |
C1(C(C)=CC2C=C(C)CCC(O)C(O)C=CC(OC32C1C(CC(C)C)NC3=O)=O)C
|
|
